SCHEMBL18512264

SCHEMBL18512264

CCOC(=O)[C@H]1C[C@@H]1c1nc(Cl)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA9 Q16790 7/20 0.47
CA12 O43570 5/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18512267 1.00 CA1 (0.47) CA1CA2CA9CA12TAS1R3
SCHEMBL18511996 1.00 CA1 (0.47) CA1CA2CA9CA12TAS1R3
SCHEMBL18512015 0.90 KMT2A (0.44) CA1CA2CA9CA12TAS1R3
SCHEMBL18512337 0.87 KMT2A (0.39) CA1CA2CA9CA12ALDH1A1
SCHEMBL18526001 0.85 CA12 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL18512280 0.85 CA12 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL18512266 0.85 KMT2A (0.43) CA1CA2CA9CA12ALDH1A1
SCHEMBL18512353 0.84 KMT2A (0.38) CA1CA2CA9CA12TAS1R3
SCHEMBL18512007 0.82 PDE4B (0.40) KMT2APDE4BKDM4ELMNA
SCHEMBL29879505 0.81 CXCR2 (0.43) ALDH1A1KMT2AHTTKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L CA1 3950/4885CA2 1361/4885CA9 4158/4885
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP CA1 1438/4885CA2 293/4885CA9 1736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.